2-[4-[[2-[(E)-2-phenylazanylethenyl]-1,3-benzoxazol-3-ium-3-yl]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[2-[(E)-2-phenylazanylethenyl]-1,3-benzoxazol-3-ium-3-yl]methyl]phenyl]ethanoic acid Openeye Name: 2-[4-[[2-[(E)-2-anilinovinyl]-1,3-benzoxazol-3-ium-3-yl]methyl]phenyl]acetic acid CAS Name: 2-[4-[[2-[(E)-2-anilinoethenyl]-1,3-benzoxazol-3-ium-3-yl]methyl]phenyl]acetic acid IUPAC Name: 2-[4-[[2-[(E)-2-anilinoethenyl]-1,3-benzoxazol-3-ium-3-yl]methyl]phenyl]acetic acid Traditional Name: 2-[4-[[2-[(E)-2-anilinovinyl]-1,3-benzoxazol-3-ium-3-yl]methyl]phenyl]acetic acid Formula: C24H21N2O3+ MolecularWeight: 385.43514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC=CC2=[N+](C3=CC=CC=C3O2)CC4=CC=C(C=C4)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N/C=C/C2=[N+](C3=CC=CC=C3O2)CC4=CC=C(C=C4)CC(=O)O

InChI

InChI=1S/C24H20N2O3/c27-24(28)16-18-10-12-19(13-11-18)17-26-21-8-4-5-9-22(21)29-23(26)14-15-25-20-6-2-1-3-7-20/h1-15H,16-17H2,(H,27,28)/p+1